Electronic Structure and Optical Property Analysis of Al/Ga-Codoped ZnO through First-Principles Calculations

Using density functional theory and the Hubbard U method, we investigated the geometric structure, electronic structure, and optical property of Al/Ga-codoped ZnO. A 3 × 3 × 3 ZnO supercell was used to construct Al- and Ga-monodoped ZnO structures and Al/Ga-codoped ZnO (AGZO) structures. All three s...

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Detalles Bibliográficos
Autores principales: Chen, Chieh-Cheng, Wu, Hsuan-Chung
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5456706/
https://www.ncbi.nlm.nih.gov/pubmed/28773286
http://dx.doi.org/10.3390/ma9030164

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5456706/
https://www.ncbi.nlm.nih.gov/pubmed/28773286
http://dx.doi.org/10.3390/ma9030164

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